Papers
Topics
Authors
Recent
Gemini 2.5 Flash
Gemini 2.5 Flash
157 tokens/sec
GPT-4o
8 tokens/sec
Gemini 2.5 Pro Pro
46 tokens/sec
o3 Pro
4 tokens/sec
GPT-4.1 Pro
38 tokens/sec
DeepSeek R1 via Azure Pro
28 tokens/sec
2000 character limit reached

Effect of Strain on Interactions of Σ3{111} Silicon Grain Boundary with Oxygen Impurities from First Principles (2201.07522v1)

Published 19 Jan 2022 in cond-mat.mtrl-sci

Abstract: The interaction of grain boundaries (GBs) with inherent defects and/or impurity elements in multi-crystalline silicon play a decisive role in their electrical behavior. Strain, depending on the types of GBs and defects, plays an important role in these systems. Herein, the correlation between the structural and electronic properties of {\Sigma} 3{111} Si-GB in the presence of interstitial oxygen impurities is studied from the first-principles framework, considering the global and local model of strain. It is observed that the distribution of strain along with the number of impurity atoms modifies the energetics of the material. However, the electronic properties of the considered Si-GBs are not particularly affected by the strain and by the oxygen impurities, unless a very high local distortion induces additional structural defects.

Summary

We haven't generated a summary for this paper yet.